Spektraris NMR
2,19 -Dihydroxy-3-oxo-urs-12-en-28-oic acid monoacetate
Common Name: 2,19 -Dihydroxy-3-oxo-urs-12-en-28-oic acid monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-23-28(5)17-21(38-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,18,21-24,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22+,23-,24-,28+,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=BCVSEHRIFGVGQW-WFIPTJTMSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Taniguchi, S., Imayoshi, Y., Kobayashi, E., Takamatsu, Y., Ito, H., Hatano, T., Sakagami, H., Tokuda, H., Nishino, H., Sugita, D., Shimura, S., Yoshida, T. Phytochemistry (2002) 59, 315-23
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 45.6 |
| 2 (CH) | 71.6 |
| 3 (C) | 209.1 |
| 4 (C) | 48.7 |
| 5 (CH) | 57 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 32.4 |
| 8 (C) | 40 |
| 9 (CH) | 46.9 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 128.5 |
| 13 (C) | 138.3 |
| 14 (C) | 41.3 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 25.3 |
| 17 (C) | 47.7 |
| 18 (CH) | 52.9 |
| 19 (C) | 73.1 |
| 20 (CH) | 41.1 |
| 21 (CH2) | 25.9 |
| 22 (CH2) | 37.9 |
| 23 (CH3) | 24.8 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 24.4 |
| 28 (C) | 183.4 |
| 29 (CH3) | 27.4 |
| 30 (CH3) | 15.9 |
| 2a (C) | 170.2 |
| 2b (CH3) | 20.1 |
